Bis[1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] succinate
Basic information
- CAS
100231-61-6- Standard SMILES
CC(C)C(=O)OCC(C)(C)C(OC(=O)CCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C- InChIKey
YSMQUFSPEWTPTR-UHFFFAOYSA-N- Molecular formula
- C28H50O8
- Average molar mass
- 514.7 g/mol
- Monoisotopic mass
- 514.35056855
Names & identifiers
- Preferred name
- Bis[1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] succinate
- IUPAC
- bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] butanedioate
- English name
- bis[1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] succinate
- Molecular formula
- C28H50O8
- Molecular weight
- 514.6918
Names & synonyms
100231-61-6BIS[1-(ISOPROPYL)-2,2-DIMETHYL-3-(2-METHYL-1-OXOPROPOXY)PROPYL] SUCCINATEBis(1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl) succinateEINECS 309-361-1YSMQUFSPEWTPTR-UHFFFAOYSA-Nbis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] butanedioateDTXSID30905276NS00066227Bis{2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl} butanedioateButanedioic acid, 1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] esterButanedioic acid bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
Database identifiers
- CAS
100231-61-6- PubChem CID
- 113554
- DTXSID
DTXSID30905276- EC Number
- 309-361-1
- Nikkaji
- J327.116A
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 672
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